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Chemical ID: 7089048
Chemical ID:
7089048
Name [?]:
2-(3,5-dimethylphenyl)ethanol
SMILES [?]:
Cc1cc(cc(c1)CCO)C
InChi [?]:
InChI=1/C10H14O/c1-8-5-9(2)7-10(6-8)3-4-11/h5-7,11H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,8,9,3,7,5,2,4,6,10/E:(1,2)(6,7)(8,9)/rA:11nCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s4;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14O |
All Atoms: | 25 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.57851 |
Area: | 331.335 |
Solvation: | -1.70487 |
Coulombic: | -18.1301 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 150.218 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.24 |
LogP (Chemaxon): | 2.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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